1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide

C20H30N2O2 — CID 42989600

IUPAC1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1N1CC(C(=O)NC(C)(C)CC)CC1=O
InChIInChI=1S/C20H30N2O2/c1-6-14(3)16-10-8-9-11-17(16)22-13-15(12-18(22)23)19(24)21-20(4,5)7-2/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,21,24)
InChIKeyFBWROTVSFAXKQV-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.86
Rot. Bonds6

About 1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42989600) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42989600
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1N1CC(C(=O)NC(C)(C)CC)CC1=O
InChIInChI=1S/C20H30N2O2/c1-6-14(3)16-10-8-9-11-17(16)22-13-15(12-18(22)23)19(24)21-20(4,5)7-2/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,21,24)
InChIKeyFBWROTVSFAXKQV-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 27536786
1-(2-butan-2-ylphenyl)-N-(1-hydroxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78856916
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 2442336
1-(2-butan-2-ylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 86908073
1-(2-butan-2-ylphenyl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119387824
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340
methyl 2-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoate
CID 55343911
cis-(1S,3R)-3-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675294
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7947509
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761294

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 42989600) is 1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide is CCC(C)c1ccccc1N1CC(C(=O)NC(C)(C)CC)CC1=O.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FBWROTVSFAXKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-6-14(3)16-10-8-9-11-17(16)22-13-15(12-18(22)23)19(24)21-20(4,5)7-2/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,21,24).
What are the key properties of 1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42989600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).